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canSAR168529
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NAMES
    SMILES
    COc1cc2ncc3c(N)nc(-c4cncc(Nc5ccc(CCO)cc5)c4)cc3c2cc1OC
    InChI
    InChI=1S/C27H25N5O3/c1-34-25-11-21-20-10-23(32-27(28)22(20)15-30-24(21)12-26(25)35-2)17-9-19(14-29-13-17)31-18-5-3-16(4-6-18)7-8-33/h3-6,9-15,31,33H,7-8H2,1-2H3,(H2,28,32)
    MOLECULAR FORMULA
    C27H25N5O3
    CROSS REFERENCES
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    canSAR168529

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 467.20
    AlogP 4.72
    HBond donors 4
    HBond acceptors 8
    Atoms 60
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR168529.